N-methyl-N-propyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C14H20N2O — CID 65260840

IUPACN-methyl-N-propyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCCCN(C)C(=O)C1CNCc2ccccc21
InChIInChI=1S/C14H20N2O/c1-3-8-16(2)14(17)13-10-15-9-11-6-4-5-7-12(11)13/h4-7,13,15H,3,8-10H2,1-2H3
InChIKeyOAWWGTQOOVHOKD-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.74
Rot. Bonds3

About N-methyl-N-propyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

N-methyl-N-propyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 65260840) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-methyl-N-propyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-propyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID65260840
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-methyl-N-propyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCCCN(C)C(=O)C1CNCc2ccccc21
InChIInChI=1S/C14H20N2O/c1-3-8-16(2)14(17)13-10-15-9-11-6-4-5-7-12(11)13/h4-7,13,15H,3,8-10H2,1-2H3
InChIKeyOAWWGTQOOVHOKD-UHFFFAOYSA-N
XLogP1.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-methyl-N-propyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 65260840) is N-methyl-N-propyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-methyl-N-propyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-methyl-N-propyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is CCCN(C)C(=O)C1CNCc2ccccc21.
What is the InChIKey of N-methyl-N-propyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is OAWWGTQOOVHOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-8-16(2)14(17)13-10-15-9-11-6-4-5-7-12(11)13/h4-7,13,15H,3,8-10H2,1-2H3.
What are the key properties of N-methyl-N-propyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N-methyl-N-propyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 65260840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).